Molecule
ID:120525
General Information
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6,11H,10H2,1-2H3
InChIKey
WXULIANDWRYTKZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(c(c1)N)O)C
Isomeric Smiles
c1(cc(ccc1O)C(C)C)N
Calculated Properties
JChem
Acid pKa
10.616105
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0215266
LogD (pH = 7.4)
2.0845714
Log P
2.0857637
Molar Refractivity
46.9301
Polarizability
17.521822
Polar Surface Area
46.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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